# generated using pymatgen
data_Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.71645019
_cell_length_b   15.69633707
_cell_length_c   47.00376197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.23657785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm
_chemical_formula_sum   Sm216
_cell_volume   17784.8852286
_cell_formula_units_Z   216
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sm  Sm1  1  0.424273  0.744035  0.296423  1
  Sm  Sm2  1  0.924399  0.742312  0.296394  1
  Sm  Sm3  1  0.381313  0.983624  0.325408  1
  Sm  Sm4  1  0.384923  0.366799  0.312648  1
  Sm  Sm5  1  0.881923  0.983806  0.325606  1
  Sm  Sm6  1  0.887727  0.361767  0.312773  1
  Sm  Sm7  1  0.611623  0.677066  0.314751  1
  Sm  Sm8  1  0.110492  0.673201  0.314355  1
  Sm  Sm9  1  0.638398  0.062688  0.302923  1
  Sm  Sm10  1  0.632800  0.294015  0.334102  1
  Sm  Sm11  1  0.138653  0.061154  0.303019  1
  Sm  Sm12  1  0.135550  0.437699  0.287585  1
  Sm  Sm13  1  0.747855  0.483789  0.326444  1
  Sm  Sm14  1  0.249805  0.486532  0.327525  1
  Sm  Sm15  1  0.766930  0.862548  0.311461  1
  Sm  Sm16  1  0.770223  0.243799  0.297217  1
  Sm  Sm17  1  0.267009  0.863553  0.311585  1
  Sm  Sm18  1  0.266131  0.248509  0.296894  1
  Sm  Sm19  1  0.520331  0.884553  0.305217  1
  Sm  Sm20  1  0.020282  0.883304  0.305860  1
  Sm  Sm21  1  0.518258  0.253275  0.294633  1
  Sm  Sm22  1  0.507858  0.490454  0.321350  1
  Sm  Sm23  1  0.027151  0.267020  0.291226  1
  Sm  Sm24  1  0.003436  0.491068  0.324125  1
  Sm  Sm25  1  0.369905  0.597293  0.342584  1
  Sm  Sm26  1  0.867129  0.598103  0.341926  1
  Sm  Sm27  1  0.361357  0.820619  0.374272  1
  Sm  Sm28  1  0.369165  0.206326  0.358888  1
  Sm  Sm29  1  0.860918  0.821301  0.374294  1
  Sm  Sm30  1  0.868116  0.203409  0.360593  1
  Sm  Sm31  1  0.617297  0.514726  0.368603  1
  Sm  Sm32  1  0.117122  0.513257  0.368433  1
  Sm  Sm33  1  0.625082  0.897117  0.352160  1
  Sm  Sm34  1  0.609330  0.129878  0.381547  1
  Sm  Sm35  1  0.124696  0.896655  0.352399  1
  Sm  Sm36  1  0.131436  0.282881  0.338877  1
  Sm  Sm37  1  0.740024  0.321329  0.376503  1
  Sm  Sm38  1  0.239498  0.323050  0.375466  1
  Sm  Sm39  1  0.737129  0.704736  0.360383  1
  Sm  Sm40  1  0.748616  0.089456  0.346311  1
  Sm  Sm41  1  0.237065  0.704903  0.360305  1
  Sm  Sm42  1  0.249197  0.089360  0.346430  1
  Sm  Sm43  1  0.494310  0.709884  0.359704  1
  Sm  Sm44  1  0.993231  0.711069  0.360115  1
  Sm  Sm45  1  0.499778  0.095426  0.341450  1
  Sm  Sm46  1  0.489202  0.323972  0.371707  1
  Sm  Sm47  1  1.000530  0.100905  0.338972  1
  Sm  Sm48  1  0.988998  0.320460  0.372482  1
  Sm  Sm49  1  0.357470  0.432976  0.390879  1
  Sm  Sm50  1  0.858389  0.433456  0.389749  1
  Sm  Sm51  1  0.346696  0.660254  0.421399  1
  Sm  Sm52  1  0.352962  0.046280  0.405936  1
  Sm  Sm53  1  0.846921  0.660183  0.421298  1
  Sm  Sm54  1  0.851940  0.044862  0.406787  1
  Sm  Sm55  1  0.599546  0.351606  0.413932  1
  Sm  Sm56  1  0.099169  0.351499  0.414895  1
  Sm  Sm57  1  0.604981  0.740151  0.399030  1
  Sm  Sm58  1  0.592438  0.967871  0.429246  1
  Sm  Sm59  1  0.104455  0.739024  0.398781  1
  Sm  Sm60  1  0.108994  0.124108  0.383435  1
  Sm  Sm61  1  0.720711  0.161171  0.422708  1
  Sm  Sm62  1  0.220478  0.161275  0.422578  1
  Sm  Sm63  1  0.728707  0.546047  0.408325  1
  Sm  Sm64  1  0.731668  0.933745  0.391506  1
  Sm  Sm65  1  0.227917  0.546126  0.408504  1
  Sm  Sm66  1  0.232191  0.932858  0.391571  1
  Sm  Sm67  1  0.476278  0.543955  0.404322  1
  Sm  Sm68  1  0.976471  0.543749  0.404498  1
  Sm  Sm69  1  0.482914  0.933453  0.387764  1
  Sm  Sm70  1  0.471701  0.160025  0.420068  1
  Sm  Sm71  1  0.983026  0.935226  0.387757  1
  Sm  Sm72  1  0.971790  0.158337  0.420265  1
  Sm  Sm73  1  0.339636  0.273049  0.437391  1
  Sm  Sm74  1  0.840292  0.273579  0.437542  1
  Sm  Sm75  1  0.328949  0.499500  0.469142  1
  Sm  Sm76  1  0.333818  0.886147  0.452884  1
  Sm  Sm77  1  0.829104  0.499494  0.468805  1
  Sm  Sm78  1  0.833645  0.885682  0.453260  1
  Sm  Sm79  1  0.581771  0.193047  0.460618  1
  Sm  Sm80  1  0.081338  0.192038  0.461376  1
  Sm  Sm81  1  0.586067  0.580058  0.444903  1
  Sm  Sm82  1  0.575983  0.806385  0.476586  1
  Sm  Sm83  1  0.086261  0.579270  0.445397  1
  Sm  Sm84  1  0.093019  0.965140  0.430368  1
  Sm  Sm85  1  0.702877  0.001387  0.469960  1
  Sm  Sm86  1  0.202816  0.001030  0.470058  1
  Sm  Sm87  1  0.708276  0.388288  0.454316  1
  Sm  Sm88  1  0.714653  0.775030  0.438105  1
  Sm  Sm89  1  0.208650  0.387851  0.454464  1
  Sm  Sm90  1  0.214574  0.774125  0.438203  1
  Sm  Sm91  1  0.459947  0.384742  0.451479  1
  Sm  Sm92  1  0.959903  0.384389  0.451514  1
  Sm  Sm93  1  0.465496  0.772925  0.435941  1
  Sm  Sm94  1  0.454016  0.997985  0.467082  1
  Sm  Sm95  1  0.965393  0.772629  0.436133  1
  Sm  Sm96  1  0.954187  0.997297  0.467355  1
  Sm  Sm97  1  0.322635  0.112841  0.484162  1
  Sm  Sm98  1  0.822769  0.112584  0.484519  1
  Sm  Sm99  1  0.310738  0.339026  0.516122  1
  Sm  Sm100  1  0.316687  0.725933  0.500142  1
  Sm  Sm101  1  0.810605  0.339282  0.515766  1
  Sm  Sm102  1  0.816687  0.725933  0.500142  1
  Sm  Sm103  1  0.563917  0.033096  0.507434  1
  Sm  Sm104  1  0.063748  0.032173  0.508213  1
  Sm  Sm105  1  0.569625  0.419694  0.492072  1
  Sm  Sm106  1  0.557458  0.646784  0.523347  1
  Sm  Sm107  1  0.069456  0.418770  0.492851  1
  Sm  Sm108  1  0.075915  0.805082  0.476938  1
  Sm  Sm109  1  0.685592  0.840941  0.516957  1
  Sm  Sm110  1  0.185466  0.840567  0.517159  1
  Sm  Sm111  1  0.691110  0.227832  0.501384  1
  Sm  Sm112  1  0.696889  0.614483  0.485589  1
  Sm  Sm113  1  0.191196  0.227411  0.501477  1
  Sm  Sm114  1  0.196911  0.614061  0.485980  1
  Sm  Sm115  1  0.442177  0.224455  0.498808  1
  Sm  Sm116  1  0.942264  0.224034  0.498901  1
  Sm  Sm117  1  0.447907  0.611299  0.483126  1
  Sm  Sm118  1  0.436462  0.837806  0.514304  1
  Sm  Sm119  1  0.947781  0.610925  0.483327  1
  Sm  Sm120  1  0.936484  0.837384  0.514696  1
  Sm  Sm121  1  0.304424  0.952366  0.531143  1
  Sm  Sm122  1  0.804269  0.952372  0.531480  1
  Sm  Sm123  1  0.293737  0.178818  0.562894  1
  Sm  Sm124  1  0.299555  0.565719  0.547401  1
  Sm  Sm125  1  0.793082  0.178287  0.562742  1
  Sm  Sm126  1  0.799729  0.566184  0.547025  1
  Sm  Sm127  1  0.547113  0.872597  0.554887  1
  Sm  Sm128  1  0.047307  0.871809  0.555381  1
  Sm  Sm129  1  0.552036  0.259829  0.538908  1
  Sm  Sm130  1  0.540354  0.486727  0.569917  1
  Sm  Sm131  1  0.051602  0.258819  0.539667  1
  Sm  Sm132  1  0.057390  0.645482  0.523698  1
  Sm  Sm133  1  0.667980  0.679238  0.564152  1
  Sm  Sm134  1  0.167877  0.678941  0.564344  1
  Sm  Sm135  1  0.673470  0.067477  0.548770  1
  Sm  Sm136  1  0.679186  0.454570  0.532930  1
  Sm  Sm137  1  0.173426  0.067124  0.548806  1
  Sm  Sm138  1  0.179357  0.453882  0.533202  1
  Sm  Sm139  1  0.424723  0.064016  0.545821  1
  Sm  Sm140  1  0.925097  0.063578  0.545969  1
  Sm  Sm141  1  0.430557  0.450836  0.530227  1
  Sm  Sm142  1  0.418799  0.677742  0.562082  1
  Sm  Sm143  1  0.930496  0.450479  0.530325  1
  Sm  Sm144  1  0.918721  0.676836  0.562180  1
  Sm  Sm145  1  0.286678  0.791613  0.578886  1
  Sm  Sm146  1  0.786453  0.791684  0.578986  1
  Sm  Sm147  1  0.275903  0.018891  0.609406  1
  Sm  Sm148  1  0.280411  0.405586  0.594349  1
  Sm  Sm149  1  0.774984  0.018411  0.610536  1
  Sm  Sm150  1  0.781433  0.407004  0.593498  1
  Sm  Sm151  1  0.528918  0.712843  0.601504  1
  Sm  Sm152  1  0.028392  0.711716  0.601254  1
  Sm  Sm153  1  0.534205  0.100368  0.585389  1
  Sm  Sm154  1  0.524380  0.327758  0.616849  1
  Sm  Sm155  1  0.033827  0.100260  0.586353  1
  Sm  Sm156  1  0.040935  0.483995  0.571039  1
  Sm  Sm157  1  0.650348  0.516641  0.612527  1
  Sm  Sm158  1  0.150459  0.518414  0.612521  1
  Sm  Sm159  1  0.656902  0.908118  0.595787  1
  Sm  Sm160  1  0.661583  0.293530  0.580020  1
  Sm  Sm161  1  0.157095  0.907911  0.595963  1
  Sm  Sm162  1  0.161673  0.291841  0.580217  1
  Sm  Sm163  1  0.405457  0.905740  0.591781  1
  Sm  Sm164  1  0.904666  0.905819  0.591959  1
  Sm  Sm165  1  0.412896  0.290591  0.577706  1
  Sm  Sm166  1  0.401182  0.519009  0.608714  1
  Sm  Sm167  1  0.912662  0.290696  0.577577  1
  Sm  Sm168  1  0.901705  0.518122  0.608779  1
  Sm  Sm169  1  0.272016  0.631248  0.626013  1
  Sm  Sm170  1  0.772456  0.630565  0.625991  1
  Sm  Sm171  1  0.263468  0.854573  0.657700  1
  Sm  Sm172  1  0.264209  0.245540  0.641397  1
  Sm  Sm173  1  0.766245  0.853764  0.658359  1
  Sm  Sm174  1  0.765257  0.248457  0.639692  1
  Sm  Sm175  1  0.508678  0.555211  0.647886  1
  Sm  Sm176  1  0.008291  0.554750  0.648125  1
  Sm  Sm177  1  0.516252  0.938609  0.631851  1
  Sm  Sm178  1  0.501937  0.168985  0.661408  1
  Sm  Sm179  1  0.016076  0.937140  0.631682  1
  Sm  Sm180  1  0.024044  0.321989  0.618737  1
  Sm  Sm181  1  0.632844  0.350961  0.661313  1
  Sm  Sm182  1  0.133595  0.356441  0.658835  1
  Sm  Sm183  1  0.640142  0.740798  0.640169  1
  Sm  Sm184  1  0.644376  0.131406  0.627803  1
  Sm  Sm185  1  0.139063  0.741982  0.640580  1
  Sm  Sm186  1  0.144171  0.127895  0.628577  1
  Sm  Sm187  1  0.396309  0.746963  0.639979  1
  Sm  Sm188  1  0.896244  0.747130  0.639902  1
  Sm  Sm189  1  0.393876  0.128817  0.624818  1
  Sm  Sm190  1  0.384176  0.362506  0.653854  1
  Sm  Sm191  1  0.893350  0.130537  0.623782  1
  Sm  Sm192  1  0.884757  0.362410  0.653974  1
  Sm  Sm193  1  0.252060  0.468243  0.674877  1
  Sm  Sm194  1  0.751450  0.468060  0.674679  1
  Sm  Sm195  1  0.209100  0.707832  0.703862  1
  Sm  Sm196  1  0.248450  0.085068  0.687636  1
  Sm  Sm197  1  0.708974  0.709554  0.703890  1
  Sm  Sm198  1  0.745646  0.090099  0.687512  1
  Sm  Sm199  1  0.494721  0.390712  0.697265  1
  Sm  Sm200  1  0.994976  0.389178  0.697362  1
  Sm  Sm201  1  0.522882  0.778665  0.685929  1
  Sm  Sm202  1  0.497823  0.014168  0.712699  1
  Sm  Sm203  1  0.021750  0.774800  0.685533  1
  Sm  Sm204  1  1.000573  0.157851  0.666183  1
  Sm  Sm205  1  0.606222  0.184847  0.709059  1
  Sm  Sm206  1  0.115115  0.198592  0.705651  1
  Sm  Sm207  1  0.613091  0.568562  0.694425  1
  Sm  Sm208  1  0.629938  0.960798  0.676160  1
  Sm  Sm209  1  0.113043  0.567314  0.695068  1
  Sm  Sm210  1  0.125516  0.961412  0.678935  1
  Sm  Sm211  1  0.366365  0.588313  0.688700  1
  Sm  Sm212  1  0.866444  0.589318  0.688824  1
  Sm  Sm213  1  0.383568  0.965334  0.672759  1
  Sm  Sm214  1  0.367242  0.203358  0.703390  1
  Sm  Sm215  1  0.885519  0.968077  0.673841  1
  Sm  Sm216  1  0.863151  0.208068  0.703067  1
